Geometry & MOs

Info

ID:	299749
PubChem CID:	117689148
Reduced:	O2F3N3H26C27 (1)
Stoich.:	A2B3C3D26E27 (1)
Weight, g/mol:	477.316249
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	1.69
IP(EA), eV:	-9.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxypropanoic acid;[(2S)-2-amino-4-methylpentanoyl] (2S)-2,6-diaminohexanoate

Drug info:

PubChemData

Smile

C1CC1[C@H](C2=CC=C(C=C2)OC(F)F)N(CC3=NN=CC=C3)C(=O)CC4(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations